Compound Detail
CHEMBL569212
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL569212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVNBPMNELMRFMU-DENIHFKCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.86
ALogP
3
HBA
1
HBD
36.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.72 | 6.72 | 190.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.49 | 6.49 | 323.6 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.44 | 6.44 | 363.1 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.33 | 6.33 | 467.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.26 | 6.26 | 549.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 190.55 | nM | 6.72 | Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 323.59 | nM | 6.49 | Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 363.08 | nM | 6.44 | Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 467.74 | nM | 6.33 | Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 549.54 | nM | 6.26 | Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CH... | 19928767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M3 | 2 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M1 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M2 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M4 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M5 | 1 |
| 19928767 | 10.1021/jm901048j | Unchecked | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic receptor 2 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine